CID 6484551

3-methyl-5-oxo-5h-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid

Structural Information

Molecular Formula
C8H6N2O3S
SMILES
CC1=CSC2=NC=C(C(=O)N12)C(=O)O
InChI
InChI=1S/C8H6N2O3S/c1-4-3-14-8-9-2-5(7(12)13)6(11)10(4)8/h2-3H,1H3,(H,12,13)
InChIKey
SLUJXUKOGZUFLT-UHFFFAOYSA-N
Compound name
3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.00992 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.017196 139.1
[M+Na]+ 232.999138 152.1
[M-H]- 209.002644 141.6
[M+NH4]+ 228.043743 158.8
[M+K]+ 248.973078 148.6
[M+H-H2O]+ 193.007180 133.7
[M+HCOO]- 255.008121 156.9
[M+CH3COO]- 269.023771 181.0
[M+Na-2H]- 230.984586 142.7
[M]+ 210.00937142 144.8
[M]- 210.01046858 144.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.